SCHEMBL3715789

SCHEMBL3715789

CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCL2L1 Q07817 14/20 0.91
▸ BCL2 P10415 9/20 0.86
▸ MDM4 O15151 1/20 0.86
▸ BCL2L11 O43521 1/20 0.86
▸ TP53 P04637 1/20 0.86
▸ BID P55957 1/20 0.86
▸ BAX Q07812 1/20 0.86
▸ MCL1 Q07820 1/20 0.86
▸ ASPH Q12797 1/20 0.86
▸ BECN1 Q14457 1/20 0.86
▸ BAK1 Q16611 1/20 0.86
▸ BCL2L2 Q92843 1/20 0.86
▸ BAD Q92934 1/20 0.86
▸ BBC3 Q9BXH1 1/20 0.86
▸ HDAC3 O15379 5/20 0.80
▸ HDAC4 P56524 5/20 0.80
▸ HDAC1 Q13547 5/20 0.80
▸ HDAC7 Q8WUI4 5/20 0.80
▸ HDAC2 Q92769 5/20 0.80
▸ HDAC10 Q969S8 5/20 0.80

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1541440 1.00 BCL2L1 (0.91) BCL2L1BCL2MDM4BCL2L11TP53
SCHEMBL1540913 0.94 BCL2L1 (0.88) BCL2L1BCL2MDM4BCL2L11TP53
SCHEMBL29003406 0.94 BCL2L1 (0.81) BCL2L1BCL2MDM4BCL2L11TP53
SCHEMBL1540259 0.94 BCL2L1 (0.87) BCL2L1BCL2MDM4BCL2L11TP53
SCHEMBL1540102 0.94 BCL2L1 (0.91) BCL2L1BCL2MDM4BCL2L11TP53
SCHEMBL1540754 0.94 BCL2L1 (0.86) BCL2L1BCL2MDM4BCL2L11TP53
SCHEMBL1540067 0.93 BCL2L1 (0.89) BCL2L1BCL2MDM4BCL2L11TP53
SCHEMBL2022864 0.93 BCL2L1 (0.86) BCL2L1BCL2MDM4BCL2L11TP53
SCHEMBL1541324 0.93 BCL2L1 (0.86) BCL2L1BCL2MDM4BCL2L11TP53
SCHEMBL18274765 0.93 BCL2L1 (0.79) BCL2L1BCL2MDM4BCL2L11TP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231159-A1 METHOD OF TREATING ARTHRITIS Abbott Laboratories (US) 2010-09-29 — — EP disclosed
WO-2009064938-A1 METHOD OF TREATING ARTHRITIS ABBOTT LABORATORIES (US) 2009-05-22 — — WO disclosed
WO-2008064116-A2 METHOD OF PREVENTING OR TREATING ORGAN, HEMATOPOIETIC STEM CELL OR BONE MARROW TRANSPLANT REJECTION ABBOTT LABORATORIES (US) 2008-05-29 — — WO disclosed
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